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25244-91-1 | 1-(10H-phenothiazin-2-yl)butan-1-one
CAS No: 25244-91-1 Catalog No: AG00BTFH MDL No:
Product Description
Catalog Number:
AG00BTFH
Chemical Name:
1-(10H-phenothiazin-2-yl)butan-1-one
CAS Number:
25244-91-1
IUPAC Name:
1-(10H-phenothiazin-2-yl)butan-1-one
InChI:
InChI=1S/C16H15NOS/c1-2-5-14(18)11-8-9-16-13(10-11)17-12-6-3-4-7-15(12)19-16/h3-4,6-10,17H,2,5H2,1H3
InChI Key:
NUWCYIDJOKYQFA-UHFFFAOYSA-N
EC Number:
246-755-1
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.087g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
269.362g/mol
Monoisotopic Mass:
269.087g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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